CID 3858921

618443-44-0

Structural Information

Molecular Formula
C19H19ClN2O
SMILES
CC1=CC(=C(C=C1)C2=NNC(=O)C(C2)CC3=CC=C(C=C3)Cl)C
InChI
InChI=1S/C19H19ClN2O/c1-12-3-8-17(13(2)9-12)18-11-15(19(23)22-21-18)10-14-4-6-16(20)7-5-14/h3-9,15H,10-11H2,1-2H3,(H,22,23)
InChIKey
YTBBMHZRUAEPGX-UHFFFAOYSA-N
Compound name
5-[(4-chlorophenyl)methyl]-3-(2,4-dimethylphenyl)-4,5-dihydro-1H-pyridazin-6-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

326.1186 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 327.12588 178.0
[M+Na]+ 349.10782 186.9
[M-H]- 325.11132 183.5
[M+NH4]+ 344.15242 189.7
[M+K]+ 365.08176 178.7
[M+H-H2O]+ 309.11586 168.3
[M+HCOO]- 371.11680 190.6
[M+CH3COO]- 385.13245 187.9
[M+Na-2H]- 347.09327 179.2
[M]+ 326.11805 177.3
[M]- 326.11915 177.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.